Calcium in PDB 3vpk: Crystal Structure of 6-Guanidinohexanoyl Trypsin

All present enzymatic activity of Crystal Structure of 6-Guanidinohexanoyl Trypsin:
3.4.21.4;

The structure of Crystal Structure of 6-Guanidinohexanoyl Trypsin, PDB code: 3vpk was solved by Y.Masuda, Y.Nitanai, R.Mizutani, S.Noguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.61 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.779, 61.050, 69.664, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.7

The binding sites of Calcium atom in the Crystal Structure of 6-Guanidinohexanoyl Trypsin (pdb code 3vpk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of 6-Guanidinohexanoyl Trypsin, PDB code: 3vpk:

Calcium binding site 1 out of 1 in the Crystal Structure of 6-Guanidinohexanoyl Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of 6-Guanidinohexanoyl Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:24.0 occ:1.00 O A:VAL75 2.3 22.2 1.0 O A:ASN72 2.3 22.1 1.0 OE2 A:GLU80 2.3 22.9 1.0 OE1 A:GLU70 2.4 21.9 1.0 O A:HOH524 2.4 26.7 1.0 O A:HOH480 2.4 22.5 1.0 CD A:GLU80 3.4 25.8 1.0 CD A:GLU70 3.4 22.6 1.0 C A:VAL75 3.4 24.5 1.0 C A:ASN72 3.5 22.6 1.0 CG A:GLU80 3.7 24.6 1.0 OE2 A:GLU70 3.7 23.0 1.0 OE1 A:GLU77 4.1 30.4 1.0 CA A:VAL76 4.2 24.5 1.0 N A:GLU77 4.2 23.6 1.0 N A:VAL76 4.2 23.9 1.0 N A:VAL75 4.3 25.1 1.0 CA A:ILE73 4.3 22.6 1.0 N A:ILE73 4.3 23.0 1.0 N A:ASN72 4.4 22.2 1.0 CA A:ASN72 4.4 21.7 1.0 O A:HOH512 4.4 22.3 1.0 CA A:VAL75 4.4 25.3 1.0 CG A:GLU77 4.5 27.9 1.0 OE1 A:GLU80 4.5 24.7 1.0 C A:ILE73 4.6 23.3 1.0 N A:ASP71 4.7 22.4 1.0 C A:VAL76 4.7 24.5 1.0 CD A:GLU77 4.7 31.4 1.0 CB A:ASN72 4.7 23.2 1.0 CG A:GLU70 4.7 21.8 1.0 CB A:GLU77 4.8 27.4 1.0 O A:HOH481 4.8 28.3 1.0 CA A:GLU70 4.9 20.2 1.0 N A:ASN74 4.9 24.3 1.0

Y.Masuda, Y.Nitanai, R.Mizutani, S.Noguchi. Crystal Structure of 6-Guanidinohexanoyl Trypsin Near the Optimum pH Reveals the Acyl-Enzyme Intermediate to Be Deacylated Proteins 2012.
ISSN: ESSN 1097-0134
PubMed: 23161653
DOI: 10.1002/PROT.24206